2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide

C4H4F3NOS — CID 19079826

IUPAC2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide
SMILESO=C(NCC=S)C(F)(F)F
InChIInChI=1S/C4H4F3NOS/c5-4(6,7)3(9)8-1-2-10/h2H,1H2,(H,8,9)
InChIKeyKNVZSVXHVALNLA-UHFFFAOYSA-N
MW171.14 g/mol
LogP0.66
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide

2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide (PubChem CID 19079826) has the molecular formula C4H4F3NOS and a molecular weight of 171.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide
PubChem CID19079826
Molecular FormulaC4H4F3NOS
Molecular Weight171.14 g/mol
Exact Mass171.00
IUPAC Name2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide
SMILESO=C(NCC=S)C(F)(F)F
InChIInChI=1S/C4H4F3NOS/c5-4(6,7)3(9)8-1-2-10/h2H,1H2,(H,8,9)
InChIKeyKNVZSVXHVALNLA-UHFFFAOYSA-N
XLogP0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide
CID 12589533
2,2,2-trifluoro-N-(2-mercaptoethyl)acetamide
CID 15003205
2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylideneethyl)butanamide
CID 18409433
N-(2-methylthioethyl)trifluoroacetamide
CID 22609837
N-[2-(2-aminoethyldisulfanyl)ethyl]-2,2,2-trifluoroacetamide
CID 60018915
2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60650073
2,2,2-trifluoro-N-(3-sulfanylpropyl)acetamide
CID 86142109
N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
CID 88871209
2,2-difluoro-N-(2-sulfanylethyl)acetamide
CID 89881445
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
CID 141348896
2-sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 141348905

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide (CID 19079826) is 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide is O=C(NCC=S)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide?
The InChIKey is KNVZSVXHVALNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NOS/c5-4(6,7)3(9)8-1-2-10/h2H,1H2,(H,8,9).
What are the key properties of 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide?
2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide has a molecular weight of 171.14 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide is sourced from PubChem (CID 19079826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).